%chk=000056379.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056379

0 1
 I    7.644900       1.387600     -0.4652000    
 O   -1.401700      8.8100001E-02  0.3043000    
 O    1.981000      -1.053200      0.4041000    
 O  -0.4342000      -1.873100     -0.4346000    
 N   -5.037400      0.2873000     -0.2682000    
 C   -3.709600      0.7045000      0.1810000    
 C   -5.430800     -0.9590000      0.3880000    
 C   -6.020100       1.337300     -2.2000000E-03
 C   -2.676100     -0.3656000     -0.1326000    
 C   -6.782300      -1.440100     -0.1124000    
 C   -5.627200       2.640600     -0.6770000    
 C  -0.3565000     -0.7709000      9.0899996E-02
 C   0.9141000     -0.1481000      0.6065000    
 C    3.230600     -0.5148000      0.2127000    
 C    3.551600      0.6983000      0.8065000    
 C    4.154600      -1.191700     -0.5723000    
 C    4.820100       1.244900      0.6119000    
 C    5.423100     -0.6452000     -0.7667000    
 C    5.755800      0.5731000     -0.1747000    
 H   -3.369000       1.609500     -0.3339000    
 H   -3.693700      0.9350000       1.254800    
 H   -4.748000      -1.774500      0.1363000    
 H   -5.449300     -0.8631000       1.480700    
 H   -6.994500       1.068600     -0.4230000    
 H   -6.158700       1.507100       1.073000    
 H   -2.643400     -0.5662000      -1.210400    
 H   -2.866400      -1.297100      0.4068000    
 H   -7.611800     -0.8518000      0.2920000    
 H   -6.838200      -1.429900      -1.206400    
 H   -6.947600      -2.473800      0.2124000    
 H   -4.815700       3.156000     -0.1539000    
 H   -5.340300       2.488300      -1.723100    
 H   -6.482200       3.326400     -0.6719000    
 H    1.052600      0.7829000      4.2900000E-02
 H   0.7995000      4.6200000E-02   1.677900    
 H    2.860400       1.237800       1.446800    
 H    3.898400      -2.140500      -1.034900    
 H    5.061100       2.192700       1.086800    
 H    6.137000      -1.185300      -1.383500    


%chk=000056379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056379

0 1
I 8.106446 0.707344 0.767903
O -1.411963 0.262418 0.027914
O 2.024478 -0.746111 -0.450283
O -0.514152 -1.369919 -1.386410
N -5.158793 0.286230 0.160811
C -3.764147 0.635800 0.521085
C -5.649971 -0.936985 0.853020
C -6.101858 1.433505 0.233224
C -2.796775 -0.105875 -0.408680
C -6.737614 -1.683519 0.057636
C -5.924817 2.427702 -0.930010
C -0.366683 -0.446251 -0.567213
C 0.944290 0.142321 -0.050610
C 3.333217 -0.345950 -0.134712
C 3.670646 0.836006 0.569236
C 4.349743 -1.227650 -0.577415
C 5.030855 1.132462 0.825133
C 5.701870 -0.931141 -0.321361
C 6.036245 0.251957 0.379883
H -3.610644 1.722218 0.397767
H -3.520636 0.395422 1.582236
H -4.787432 -1.616339 0.989813
H -6.026922 -0.697578 1.879413
H -7.127706 1.025208 0.192291
H -6.014723 1.972717 1.210306
H -2.935542 0.203962 -1.458604
H -2.907451 -1.203040 -0.348509
H -7.637480 -1.060943 -0.095914
H -6.351360 -1.972589 -0.935066
H -7.051391 -2.596387 0.597393
H -4.916085 2.880005 -0.936989
H -6.073414 1.912873 -1.894977
H -6.658547 3.251300 -0.849302
H 1.073082 1.153960 -0.489352
H 0.886045 0.247646 1.050823
H 2.904858 1.530739 0.926579
H 4.063166 -2.133297 -1.119670
H 5.289596 2.045368 1.369058
H 6.481669 -1.615290 -0.667045


